6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine

C78H62N2O2 — CID 166032140

IUPAC6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
SMILESCc1ccc(-c2ccccc2)cc1N(c1ccc2cc3c(cc2c1)-c1cc2cc(N(c4cc(-c5ccccc5)ccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc2cc1-3)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C78H62N2O2/c1-47-31-33-53(49-19-11-9-12-20-49)45-71(47)79(69-29-17-25-61-59-23-15-27-67(77(3,4)5)73(59)81-75(61)69)57-37-35-51-41-63-64-42-52-36-38-58(40-56(52)44-66(64)65(63)43-55(51)39-57)80(72-46-54(34-32-48(72)2)50-21-13-10-14-22-50)70-30-18-26-62-60-24-16-28-68(78(6,7)8)74(60)82-76(62)70/h9-46H,1-8H3
InChIKeyGHSPALSXVOPDIQ-UHFFFAOYSA-N
MW1059.37 g/mol
LogP22.92
Rot. Bonds8

About 6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine

6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine (PubChem CID 166032140) has the molecular formula C78H62N2O2 and a molecular weight of 1059.37 g/mol. Its IUPAC name is 6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine.

Molecular Properties

Compound Name6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
PubChem CID166032140
Molecular FormulaC78H62N2O2
Molecular Weight1059.37 g/mol
Exact Mass1058.48
IUPAC Name6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
SMILESCc1ccc(-c2ccccc2)cc1N(c1ccc2cc3c(cc2c1)-c1cc2cc(N(c4cc(-c5ccccc5)ccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc2cc1-3)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C78H62N2O2/c1-47-31-33-53(49-19-11-9-12-20-49)45-71(47)79(69-29-17-25-61-59-23-15-27-67(77(3,4)5)73(59)81-75(61)69)57-37-35-51-41-63-64-42-52-36-38-58(40-56(52)44-66(64)65(63)43-55(51)39-57)80(72-46-54(34-32-48(72)2)50-21-13-10-14-22-50)70-30-18-26-62-60-24-16-28-68(78(6,7)8)74(60)82-76(62)70/h9-46H,1-8H3
InChIKeyGHSPALSXVOPDIQ-UHFFFAOYSA-N
XLogP22.92
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.37
LogP ≤ 522.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-N-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032213
N-(2-methylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032551
6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166031810
17-(4-tert-butylphenyl)-N-(2-methylphenyl)-N-(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032918
N-[16,17-bis(4-tert-butylphenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl]-N-(5-tert-butyl-2-methylphenyl)dibenzofuran-4-amine
CID 166032355
N-(5-tert-butyl-2-methylphenyl)-N-(2-methyl-5-phenylphenyl)-16-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032400
6-tert-butyl-N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
CID 90140228
4-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 159516615
9-N,25-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497473
4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
CID 163610444
8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155362543
6-N,17-N-bis(2-methyl-5-phenylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032778

Frequently Asked Questions

What is the IUPAC name of 6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The IUPAC name of 6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine (CID 166032140) is 6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine.
What is the SMILES notation for 6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The canonical SMILES for 6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine is Cc1ccc(-c2ccccc2)cc1N(c1ccc2cc3c(cc2c1)-c1cc2cc(N(c4cc(-c5ccccc5)ccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc2cc1-3)c1cccc2c1oc1c(C(C)(C)C)cccc12.
What is the InChIKey of 6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The InChIKey is GHSPALSXVOPDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H62N2O2/c1-47-31-33-53(49-19-11-9-12-20-49)45-71(47)79(69-29-17-25-61-59-23-15-27-67(77(3,4)5)73(59)81-75(61)69)57-37-35-51-41-63-64-42-52-36-38-58(40-56(52)44-66(64)65(63)43-55(51)39-57)80(72-46-54(34-32-48(72)2)50-21-13-10-14-22-50)70-30-18-26-62-60-24-16-28-68(78(6,7)8)74(60)82-76(62)70/h9-46H,1-8H3.
What are the key properties of 6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine has a molecular weight of 1059.37 g/mol, XLogP of 22.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine is sourced from PubChem (CID 166032140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).